If you have any problem of using this web tool, please contact us at  support@simvcd.net.

For processing other formats of VCD spectrum including Gaussian outputs, or acquiring the technology, please contact jian.shen@simvcd.net .


literatures of using Sv:

  1. "Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence"; Jonathan Lam, Richard J Lewis, Jonathan M Goodman; 

    . 2023 Mar 21;15:36. doi: 10.1186/s13321-023-00706-y


  3. “Enantiomeric characterization and structure elucidation of LH601A using vibrational circular dichroism spectroscopy” Jian Shen, Sadagopan Magesh, Lin Chen, Longqin Hu, Yanan He; Spectrochim Acta A Mol BiomolSpectrosc 2018 Mar 5:192:312-317.  

 

  1. “Enantiomeric Characterization and Conformation Study of Otamixaban” Jian Shen, Jiping Yang, Winfried Heyse, Harald Schweitzer, Norbert Nagel, Doris Andert, Chengyue Zhu, Gregory Nemeth, Teng-Man Chen, Zhicheng Zhao, Timothy Ayers, Yong-Mi Choi,    J. Pharma. Anal., (2013) 197-204   http://dx.doi.org/10.1016/j.jpha.2013.10.001. 

 

  1.  “Revisiting Vibrational Circular Dichroism Spectra of (S)-(+)-Carvone and (1S,2R,5S)-(+)-Menthol using SimIR/VCD Method” Jian Shen, Yi Li, Roy Vaz, Hiroshi Izumi,  J. Chem. Theory Comput., Article ASAP；DOI: 10.1021/ct300110q (2012), 8 (8), 2762–2768 

 

  1. “A novel computational method for comparing vibrational circular dichroism spectra” Shen J, Zhu C, Reiling S, Vaz R. Spectrochim Acta A Mol BiomolSpectrosc. (2010) 76, 418-22.